Hydrodynamic and thermal flow in nanochannel to study effects of roughness by estimation the atoms positions via MD method

HW Wu and P Torkian and A Zarei and I Moradi and A Karimipour and M Afrand, INTERNATIONAL JOURNAL OF NUMERICAL METHODS FOR HEAT & FLUID FLOW, 30, 452-467 (2019).

DOI: 10.1108/HFF-09-2019-0711

Purpose This paper aims to investigate atoms type and channel roughness effects on fluid behavior in nanochannel. Design/methodology/approach The results of mechanical properties of these structures are reported in this work by using molecular dynamics method. Findings The results show that nanochannel roughness is a limiting factor in flowing fluid in nanochannel. Moreover, fluids with less atomic weight have more free movement in ideal and non-ideal nanochannels. Originality/value For the study of mechanical properties of fluid/nanochannel system, the authors calculated parameters such as potential energy, density, temperature and velocity profiles of simulated fluids.

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